General Information of the Compound
| Compound ID |
CP0573125
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| Compound Name |
(R)-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid [(R)-1-(4-chloro-benzyl)-2-(4-cyclohexyl-4-[1,2,4]triazol-1-ylmethyl-piperidin-1-yl)-2-oxo-ethyl]-amide
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| Structure |
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| Formula |
C33H41ClN6O2
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| Molecular Weight |
589.184
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| Canonical SMILES |
Clc1ccc(C[C@@H](NC(=O)[C@H]2CCc3ccccc3N2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C33H41ClN6O2/c34-27-13-10-24(11-14-27)20-30(38-31(41)29-15-12-25-6-4-5-9-28(25)37-29)32(42)39-18-16-33(17-19-39,21-40-23-35-22-36-40)26-7-2-1-3-8-26/h4-6,9-11,13-14,22-23,26,29-30,37H,1-3,7-8,12,15-21H2,(H,38,41)/t29-,30-/m1/s1
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| InChIKey |
BQZZBFLBRMNDNM-LOYHVIPDSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound